N-(5-methoxy-2-methyl-4-nitro-phenyl)-2-[4-(phenylmethyl)pyridin-1-ium-1-yl]ethanamide

Systemtic Name: N-(5-methoxy-2-methyl-4-nitro-phenyl)-2-[4-(phenylmethyl)pyridin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzylpyridin-1-ium-1-yl)-N-(5-methoxy-2-methyl-4-nitro-phenyl)acetamide CAS Name: N-(5-methoxy-2-methyl-4-nitrophenyl)-2-[4-(phenylmethyl)-1-pyridin-1-iumyl]acetamide IUPAC Name: 2-(4-benzylpyridin-1-ium-1-yl)-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide Traditional Name: 2-(4-benzylpyridin-1-ium-1-yl)-N-(5-methoxy-2-methyl-4-nitro-phenyl)acetamide Formula: C22H22N3O4+ MolecularWeight: 392.42778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=O)C[N+]2=CC=C(C=C2)CC3=CC=CC=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1NC(=O)C[N+]2=CC=C(C=C2)CC3=CC=CC=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H21N3O4/c1-16-12-20(25(27)28)21(29-2)14-19(16)23-22(26)15-24-10-8-18(9-11-24)13-17-6-4-3-5-7-17/h3-12,14H,13,15H2,1-2H3/p+1